3-ethyl-9-methyl-2-propyl-1-oxa-4-azaspiro[5.5]undecane

C15H29NO — CID 65117967

IUPAC3-ethyl-9-methyl-2-propyl-1-oxa-4-azaspiro[5.5]undecane
SMILESCCCC1OC2(CCC(C)CC2)CNC1CC
InChIInChI=1S/C15H29NO/c1-4-6-14-13(5-2)16-11-15(17-14)9-7-12(3)8-10-15/h12-14,16H,4-11H2,1-3H3
InChIKeyKPIURBYNRVJUCG-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.50
Rot. Bonds3

About 3-ethyl-9-methyl-2-propyl-1-oxa-4-azaspiro[5.5]undecane

3-ethyl-9-methyl-2-propyl-1-oxa-4-azaspiro[5.5]undecane (PubChem CID 65117967) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 3-ethyl-9-methyl-2-propyl-1-oxa-4-azaspiro[5.5]undecane.

Molecular Properties

Compound Name3-ethyl-9-methyl-2-propyl-1-oxa-4-azaspiro[5.5]undecane
PubChem CID65117967
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name3-ethyl-9-methyl-2-propyl-1-oxa-4-azaspiro[5.5]undecane
SMILESCCCC1OC2(CCC(C)CC2)CNC1CC
InChIInChI=1S/C15H29NO/c1-4-6-14-13(5-2)16-11-15(17-14)9-7-12(3)8-10-15/h12-14,16H,4-11H2,1-3H3
InChIKeyKPIURBYNRVJUCG-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-9-methyl-2-propyl-1-oxa-4-azaspiro[5.5]undecane?
The IUPAC name of 3-ethyl-9-methyl-2-propyl-1-oxa-4-azaspiro[5.5]undecane (CID 65117967) is 3-ethyl-9-methyl-2-propyl-1-oxa-4-azaspiro[5.5]undecane.
What is the SMILES notation for 3-ethyl-9-methyl-2-propyl-1-oxa-4-azaspiro[5.5]undecane?
The canonical SMILES for 3-ethyl-9-methyl-2-propyl-1-oxa-4-azaspiro[5.5]undecane is CCCC1OC2(CCC(C)CC2)CNC1CC.
What is the InChIKey of 3-ethyl-9-methyl-2-propyl-1-oxa-4-azaspiro[5.5]undecane?
The InChIKey is KPIURBYNRVJUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-4-6-14-13(5-2)16-11-15(17-14)9-7-12(3)8-10-15/h12-14,16H,4-11H2,1-3H3.
What are the key properties of 3-ethyl-9-methyl-2-propyl-1-oxa-4-azaspiro[5.5]undecane?
3-ethyl-9-methyl-2-propyl-1-oxa-4-azaspiro[5.5]undecane has a molecular weight of 239.40 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-9-methyl-2-propyl-1-oxa-4-azaspiro[5.5]undecane is sourced from PubChem (CID 65117967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).